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	hartrees
Energy at 0K	-341.607624
Energy at 298.15K	-341.612152
Nuclear repulsion energy	268.659599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	3111	0.00
2	A₁	3005	2968	4.15
3	A₁	1814	1791	17.79
4	A₁	1604	1584	8.48
5	A₁	1328	1311	21.60
6	A₁	1239	1224	130.26
7	A₁	1018	1005	15.35
8	A₁	857	847	0.93
9	A₁	570	563	4.66
10	A₁	381	376	13.82
11	A₂	1087	1073	0.00
12	A₂	983	971	0.00
13	A₂	630	622	0.00
14	A₂	231	228	0.00
15	B₁	3050	3012	1.74
16	B₁	930	918	31.85
17	B₁	772	762	19.27
18	B₁	414	409	3.18
19	B₁	86	85	17.38
20	B₂	3129	3090	0.04
21	B₂	1783	1761	434.13
22	B₂	1291	1275	20.25
23	B₂	1184	1169	7.11
24	B₂	1103	1089	1.88
25	B₂	810	800	2.06
26	B₂	683	675	3.97
27	B₂	509	503	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.072
C2	0.000	1.191	0.148
C3	0.000	-1.191	0.148
C4	0.000	0.670	-1.235
C5	0.000	-0.670	-1.235
O6	0.000	2.358	0.459
O7	0.000	-2.358	0.459
H8	0.884	0.000	1.731
H9	-0.884	0.000	1.731
H10	0.000	1.341	-2.097
H11	0.000	-1.341	-2.097

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5071	1.5071	2.4028	2.4028	2.4363	2.4363	1.1022	1.1022	3.4416	3.4416
C2	1.5071		2.3812	1.4783	2.3185	1.2078	3.5620	2.1686	2.1686	2.2506	3.3842
C3	1.5071	2.3812		2.3185	1.4783	3.5620	1.2078	2.1686	2.1686	3.3842	2.2506
C4	2.4028	1.4783	2.3185		1.3398	2.3915	3.4695	3.1665	3.1665	1.0926	2.1882
C5	2.4028	2.3185	1.4783	1.3398		3.4695	2.3915	3.1665	3.1665	2.1882	1.0926
O6	2.4363	1.2078	3.5620	2.3915	3.4695		4.7157	2.8210	2.8210	2.7508	4.4964
O7	2.4363	3.5620	1.2078	3.4695	2.3915	4.7157		2.8210	2.8210	4.4964	2.7508
H8	1.1022	2.1686	2.1686	3.1665	3.1665	2.8210	2.8210		1.7678	4.1513	4.1513
H9	1.1022	2.1686	2.1686	3.1665	3.1665	2.8210	2.8210	1.7678		4.1513	4.1513
H10	3.4416	2.2506	3.3842	1.0926	2.1882	2.7508	4.4964	4.1513	4.1513		2.6827
H11	3.4416	3.3842	2.2506	2.1882	1.0926	4.4964	2.7508	4.1513	4.1513	2.6827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.189	C1	C2	O6	127.288
C1	C3	C5	107.189	C1	C3	O7	127.288
C2	C1	C3	104.373	C2	C1	H8	111.484
C2	C1	H9	111.484	C2	C4	C5	110.624
C2	C4	H10	121.459	C3	C1	H8	111.484
C3	C1	H9	111.484	C3	C5	C4	110.624
C3	C5	H11	121.459	C4	C2	O6	125.523
C4	C5	H11	127.917	C5	C3	O7	125.523
C5	C4	H10	127.917	H8	C1	H9	106.638

All results from a given calculation for C₅H₄O₂ (4-Cyclopentene-1,3-dione)

using model chemistry: LSDA/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.337
2	C	0.135
3	C	0.135
4	C	-0.112
5	C	-0.112
6	O	-0.235
7	O	-0.235
8	H	0.219
9	H	0.219
10	H	0.161
11	H	0.161

<r²>	186.461
(<r²>)^1/2	13.655

All results from a given calculation for C5H4O2 (4-Cyclopentene-1,3-dione)

using model chemistry: LSDA/6-311G**

States and conformations

All results from a given calculation for C₅H₄O₂ (4-Cyclopentene-1,3-dione)